tert-butyl 5-azanyl-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-3-methylsulfonyl-2-oxidanylidene-1,3-benzoxazole-7-carboxylate

Systemtic Name: tert-butyl 5-azanyl-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-3-methylsulfonyl-2-oxidanylidene-1,3-benzoxazole-7-carboxylate Openeye Name: tert-butyl 5-amino-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-3-methylsulfonyl-2-oxo-1,3-benzoxazole-7-carboxylate CAS Name: 5-amino-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-3-methylsulfonyl-2-oxo-1,3-benzoxazole-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-3-methylsulfonyl-2-oxo-1,3-benzoxazole-7-carboxylate Traditional Name: 5-amino-6-[2-(9H-carbazol-2-yloxy)ethyl]-4-(1-hydroxyethyl)-2-keto-3-mesyl-1,3-benzoxazole-7-carboxylic acid tert-butyl ester Formula: C29H31N3O8S MolecularWeight: 581.63674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C2=C1N(C(=O)O2)S(=O)(=O)C)C(=O)OC(C)(C)C)CCOC3=CC4=C(C=C3)C5=CC=CC=C5N4)N)O

Isomeric SMILES

CC(C1=C(C(=C(C2=C1N(C(=O)O2)S(=O)(=O)C)C(=O)OC(C)(C)C)CCOC3=CC4=C(C=C3)C5=CC=CC=C5N4)N)O

InChI

InChI=1S/C29H31N3O8S/c1-15(33)22-24(30)19(12-13-38-16-10-11-18-17-8-6-7-9-20(17)31-21(18)14-16)23(27(34)40-29(2,3)4)26-25(22)32(28(35)39-26)41(5,36)37/h6-11,14-15,31,33H,12-13,30H2,1-5H3